BDBM50221931 2,5-bis{6-[ethyl(furan-2-ylmethyl)amino]hexylamino}-[1,4]-benzoquinone::CHEMBL276444

SMILES: CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1ccco1)Cc1ccco1

InChI Key: InChIKey=XULGJVHYIUIEQO-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50221931   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetylcholinesterase (Homo sapiens (Human))	BDBM50221931 (2,5-bis{6-[ethyl(furan-2-ylmethyl)amino]hexylamino...) Show SMILES CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1ccco1)Cc1ccco1 |w:18.18| Show InChI InChI=1S/C32H48N4O4/c1-3-35(25-27-15-13-21-39-27)19-11-7-5-9-17-33-29-23-32(38)30(24-31(29)37)34-18-10-6-8-12-20-36(4-2)26-28-16-14-22-40-28/h13-17,21-24,34,37-38H,3-12,18-20,25-26H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	144	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant acetylcholinesterase				J Med Chem 50: 4882-97 (2007) Article DOI: 10.1021/jm070559a BindingDB Entry DOI: 10.7270/Q218379R
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50221931 (2,5-bis{6-[ethyl(furan-2-ylmethyl)amino]hexylamino...) Show SMILES CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1ccco1)Cc1ccco1 |w:18.18| Show InChI InChI=1S/C32H48N4O4/c1-3-35(25-27-15-13-21-39-27)19-11-7-5-9-17-33-29-23-32(38)30(24-31(29)37)34-18-10-6-8-12-20-36(4-2)26-28-16-14-22-40-28/h13-17,21-24,34,37-38H,3-12,18-20,25-26H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant butyrylcholinesterase				J Med Chem 50: 4882-97 (2007) Article DOI: 10.1021/jm070559a BindingDB Entry DOI: 10.7270/Q218379R
					More data for this Ligand-Target Pair